Geometry & MOs

Info

ID:	201583
PubChem CID:	79559417
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	263.107692
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	1.65
IP(EA), eV:	-8.54(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC(=O)C3=CC=CC=C3N

DOS

IR

Vibrations